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93299-49-1 | 2-CHLORO-3-QUINOLINECARBOXALDEHYDE OXIME
CAS No: 93299-49-1 Catalog No: AG006H4E MDL No:MFCD00160598
Product Description
Catalog Number:
AG006H4E
Chemical Name:
2-CHLORO-3-QUINOLINECARBOXALDEHYDE OXIME
CAS Number:
93299-49-1
Molecular Formula:
C10H7ClN2O
Molecular Weight:
206.6284
MDL Number:
MFCD00160598
IUPAC Name:
(NE)-N-[(2-chloroquinolin-3-yl)methylidene]hydroxylamine
InChI:
InChI=1S/C10H7ClN2O/c11-10-8(6-12-14)5-7-3-1-2-4-9(7)13-10/h1-6,14H/b12-6+
InChI Key:
KTZXCDZMISQMMF-WUXMJOGZSA-N
SMILES:
ON=Cc1cc2ccccc2nc1Cl
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
206.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.629g/mol
Monoisotopic Mass:
206.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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